O=C(Nc1ccccc1N1CCCCC1)c1ccc(Br)o1
SMILES: O=C(Nc1ccccc1N1CCCCC1)c1ccc(Br)o1

Molecular Processing

Molecular formula
C16H17BrN2O2
Molecular weight
349.23
Exact mass
348.0473
XLogP
4.28
TPSA
45.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
86.87

Supplementary Information

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